3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide

C10H16N4O3 — CID 105062241

IUPAC3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCOc1ccc(=O)n(CC(C)(C)C(=O)NN)n1
InChIInChI=1S/C10H16N4O3/c1-10(2,9(16)12-11)6-14-8(15)5-4-7(13-14)17-3/h4-5H,6,11H2,1-3H3,(H,12,16)
InChIKeyZGGSUDAJRVOTJZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.73
Rot. Bonds4

About 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide

3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 105062241) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID105062241
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCOc1ccc(=O)n(CC(C)(C)C(=O)NN)n1
InChIInChI=1S/C10H16N4O3/c1-10(2,9(16)12-11)6-14-8(15)5-4-7(13-14)17-3/h4-5H,6,11H2,1-3H3,(H,12,16)
InChIKeyZGGSUDAJRVOTJZ-UHFFFAOYSA-N
XLogP-0.73
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
methyl 2,2-dimethyl-3-(3-methyl-6-oxopyridazin-1-yl)propanoate
CID 79629083
2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one
CID 105062127
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529
N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061449
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one
CID 105061939
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073142
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide (CID 105062241) is 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide is COc1ccc(=O)n(CC(C)(C)C(=O)NN)n1.
What is the InChIKey of 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is ZGGSUDAJRVOTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,9(16)12-11)6-14-8(15)5-4-7(13-14)17-3/h4-5H,6,11H2,1-3H3,(H,12,16).
What are the key properties of 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide?
3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 240.26 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 105062241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).